Metadata-Version: 2.1
Name: b21scripts
Version: 1.0.1
Summary: Libraries for SAXS data manipulation and analysis
Home-page: https://github.com/nathancowieson/b21scripts.git
Author: Nathan Cowieson
Author-email: nathan.cowieson@diamond.ac.uk
License: UNKNOWN
Project-URL: Bug Tracker, https://github.com/pypa/b21scripts/issues
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/markdown
License-File: LICENCE

# b21scripts

Various scripts, libraries and modules to help with manipulating data and files associated with SAXS experiments and data analysis and particularly suited to the workflow at the B21 SAXS beamline, Diamond Light Source.
The Repository URL is: https://github.com/nathancowieson/b21scripts
The Repository can be found on PyPi: https://pypi.org/project/b21scripts/

Install via pip:
  >> pip install b21scripts

## readwrite
    
The readwrite libraries provied a convenient way to parse various files that might be associated with a SAXS experiment such as .dat files, .pdb files, fit files giving the fit of a model to experimental data and out files containing the output from the indirect Fourier transform as produced by the [ATSAS](https://www.embl-hamburg.de/biosaxs/software.html) program [Gnom](https://www.embl-hamburg.de/biosaxs/gnom.html).

---

### Modules

1. readwrite.dat.DAT
Functions for reading and writing files of type .dat containing three columns of SAXS data, scattering vector Q, intensity and error.

2. readwrite.pdb.PDB
Functions for reading and writing files of type .pdb. These are files describing a molecular structure of the type that might have been downloaded from the [Protein Data Bank](https://www.rcsb.org/). The library can parse such a file into a dictionary and then back out to a valid pdb file. There are functions to allow atomic coordinates to be rotated or translated etc. 

